Uranium adsorption on weathered schist: Intercomparison of modelling approaches

T.E. Payne, J.A. Davis, M. Ochs, Markus Olin, C.J. Tweed

Research output: Contribution to journalArticleScientificpeer-review

27 Citations (Scopus)

Abstract

Experimental data for uranium adsorption on a complex weathered rock were simulated by twelve modelling teams from eight countries using surface complexation (SC) models. This intercomparison was part of an international project to evaluate the present capabilities and limitations of SC models in representing sorption by geologic materials. The models were assessed in terms of their predictive ability, data requirements, number of optimised parameters, ability to simulate diverse chemical conditions and transferability to other substrates. A particular aim was to compare the generalised composite (GC) and component additivity (CA) approaches for modelling sorption by complex substrates. Both types of SC models showed a promising capability to simulate sorption data obtained across a range of chemical conditions. However, the models incorporated a wide variety of assumptions, particularly in terms of input parameters such as site densities and surface site types. Furthermore, the methods used to extrapolate the model simulations to different weathered rock samples collected at the same field site tended to be unsatisfactory. The outcome of this modelling exercise provides an overview of the present status of adsorption modelling in the context of radionuclide migration as practised in a number of countries worldwide.
Original languageEnglish
Pages (from-to)651-661
Number of pages11
JournalRadiochimica Acta
Volume92
Issue number9-11
DOIs
Publication statusPublished - 2004
MoE publication typeA1 Journal article-refereed

Fingerprint

schist
Uranium
uranium
Adsorption
adsorption
Complexation
sorption
Sorption
Rocks
rocks
physical exercise
Substrates
Radioisotopes
radioactive isotopes
requirements
composite materials
Composite materials
simulation

Keywords

  • modelling
  • radionuclide transport
  • sorption
  • surface complexation
  • uranium

Cite this

Payne, T.E. ; Davis, J.A. ; Ochs, M. ; Olin, Markus ; Tweed, C.J. / Uranium adsorption on weathered schist : Intercomparison of modelling approaches. In: Radiochimica Acta. 2004 ; Vol. 92, No. 9-11. pp. 651-661.
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Uranium adsorption on weathered schist : Intercomparison of modelling approaches. / Payne, T.E.; Davis, J.A.; Ochs, M.; Olin, Markus; Tweed, C.J.

In: Radiochimica Acta, Vol. 92, No. 9-11, 2004, p. 651-661.

Research output: Contribution to journalArticleScientificpeer-review

TY - JOUR

T1 - Uranium adsorption on weathered schist

T2 - Intercomparison of modelling approaches

AU - Payne, T.E.

AU - Davis, J.A.

AU - Ochs, M.

AU - Olin, Markus

AU - Tweed, C.J.

PY - 2004

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AB - Experimental data for uranium adsorption on a complex weathered rock were simulated by twelve modelling teams from eight countries using surface complexation (SC) models. This intercomparison was part of an international project to evaluate the present capabilities and limitations of SC models in representing sorption by geologic materials. The models were assessed in terms of their predictive ability, data requirements, number of optimised parameters, ability to simulate diverse chemical conditions and transferability to other substrates. A particular aim was to compare the generalised composite (GC) and component additivity (CA) approaches for modelling sorption by complex substrates. Both types of SC models showed a promising capability to simulate sorption data obtained across a range of chemical conditions. However, the models incorporated a wide variety of assumptions, particularly in terms of input parameters such as site densities and surface site types. Furthermore, the methods used to extrapolate the model simulations to different weathered rock samples collected at the same field site tended to be unsatisfactory. The outcome of this modelling exercise provides an overview of the present status of adsorption modelling in the context of radionuclide migration as practised in a number of countries worldwide.

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